2-Fluoro-5-(3-hydroxyphenyl)benzoic acid - CAS 1261938-23-1
Catalog: |
BB063476 |
Product Name: |
2-Fluoro-5-(3-hydroxyphenyl)benzoic acid |
CAS: |
1261938-23-1 |
Synonyms: |
2-FLUORO-5-(3-HYDROXYPHENYL)BENZOIC ACID; 4-Fluoro-3'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid; 4-Fluoro-3/'-hydroxy-[1,1/'-biphenyl]-3-carboxylic acid; 4-Fluoro-3'-hydroxy-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 2-fluoro-5-(3-hydroxyphenyl)benzoic acid |
Description: | 2-Fluoro-5-(3-hydroxyphenyl)benzoic acid |
Molecular Weight: | 232.21 |
Molecular Formula: | C13H9FO3 |
Canonical SMILES: | C1=CC(=CC(=C1)O)C2=CC(=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C13H9FO3/c14-12-5-4-9(7-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7,15H,(H,16,17) |
InChI Key: | KBMWODWZENMSCQ-UHFFFAOYSA-N |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.05357231 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.05357231 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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